3-(methylamino)-1-thiophen-2-ylpropan-1-one

C8H11NOS — CID 10035873

IUPAC3-(methylamino)-1-thiophen-2-ylpropan-1-one
SMILESCNCCC(=O)c1cccs1
InChIInChI=1S/C8H11NOS/c1-9-5-4-7(10)8-3-2-6-11-8/h2-3,6,9H,4-5H2,1H3
InChIKeySCZYZJNFEJZSAQ-UHFFFAOYSA-N
MW169.25 g/mol
LogP1.54
Rot. Bonds4

About 3-(methylamino)-1-thiophen-2-ylpropan-1-one

3-(methylamino)-1-thiophen-2-ylpropan-1-one (PubChem CID 10035873) has the molecular formula C8H11NOS and a molecular weight of 169.25 g/mol. Its IUPAC name is 3-(methylamino)-1-thiophen-2-ylpropan-1-one.

Molecular Properties

Compound Name3-(methylamino)-1-thiophen-2-ylpropan-1-one
PubChem CID10035873
Molecular FormulaC8H11NOS
Molecular Weight169.25 g/mol
Exact Mass169.06
IUPAC Name3-(methylamino)-1-thiophen-2-ylpropan-1-one
SMILESCNCCC(=O)c1cccs1
InChIInChI=1S/C8H11NOS/c1-9-5-4-7(10)8-3-2-6-11-8/h2-3,6,9H,4-5H2,1H3
InChIKeySCZYZJNFEJZSAQ-UHFFFAOYSA-N
XLogP1.54
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(methylamino)-1-thiophen-2-ylpropan-1-one?
The IUPAC name of 3-(methylamino)-1-thiophen-2-ylpropan-1-one (CID 10035873) is 3-(methylamino)-1-thiophen-2-ylpropan-1-one.
What is the SMILES notation for 3-(methylamino)-1-thiophen-2-ylpropan-1-one?
The canonical SMILES for 3-(methylamino)-1-thiophen-2-ylpropan-1-one is CNCCC(=O)c1cccs1.
What is the InChIKey of 3-(methylamino)-1-thiophen-2-ylpropan-1-one?
The InChIKey is SCZYZJNFEJZSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11NOS/c1-9-5-4-7(10)8-3-2-6-11-8/h2-3,6,9H,4-5H2,1H3.
What are the key properties of 3-(methylamino)-1-thiophen-2-ylpropan-1-one?
3-(methylamino)-1-thiophen-2-ylpropan-1-one has a molecular weight of 169.25 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylamino)-1-thiophen-2-ylpropan-1-one is sourced from PubChem (CID 10035873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).